6-ethyl-5-[3-nitro-4-(phenethylamino)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[3-nitro-4-(phenethylamino)phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[3-nitro-4-(phenethylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-nitro-4-(phenethylamino)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[3-nitro-4-(phenethylamino)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-phenethyl-amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2/c1-2-15-18(19(21)25-20(22)24-15)14-8-9-16(17(12-14)26(27)28)23-11-10-13-6-4-3-5-7-13/h3-9,12,23H,2,10-11H2,1H3,(H4,21,22,24,25)